8000 yachmena (Andrey Yachmenev) · GitHub
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  • https://github.com/robochimps
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  1. robochimps/richmol robochimps/richmol Public

    Molecular rotations and vibrations in fields

    Python

  2. robochimps/vibrojet robochimps/vibrojet Public

    Python package for constructing molecular rovibrational kinetic and potential energy operators using Taylor-mode automatic differentiation

    Python

  3. robochimps/rotational_clusters robochimps/rotational_clusters Public

    Nuclear spin-symmetry breaking in rotational cluster states of a triatomic molecule

    Jupyter Notebook

  4. Trovemaster/TROVE Trovemaster/TROVE Public

    Theoretical ROVibrational Energies: A variational program for accurate nuclear motion calculations

    Fortran 14 8

  5. CFEL-CMI/richmol CFEL-CMI/richmol Public

    Richmol is for variational simulations of molecular nuclear motion dynamics in fields

    Fortran 7 2

  6. Tutorial-OCS-vibrations Tutorial-OCS-vibrations Public

    Calculation of vibrational energy levels and transitions in the OCS molecule

    Jupyter Notebook

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